CID 512306

Chembl109650

Structural Information

Molecular Formula
C10H19N4O5P
SMILES
CN(C)CC(CN1C=CC(=NC1=O)N)OCP(=O)(O)O
InChI
InChI=1S/C10H19N4O5P/c1-13(2)5-8(19-7-20(16,17)18)6-14-4-3-9(11)12-10(14)15/h3-4,8H,5-7H2,1-2H3,(H2,11,12,15)(H2,16,17,18)
InChIKey
JBOOYKIWLXTTBA-UHFFFAOYSA-N
Compound name
[1-(4-amino-2-oxopyrimidin-1-yl)-3-(dimethylamino)propan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.1093 Da
Monoisotopic Mass

-5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11658 167.9
[M+Na]+ 329.09852 173.3
[M-H]- 305.10202 166.2
[M+NH4]+ 324.14312 178.9
[M+K]+ 345.07246 173.1
[M+H-H2O]+ 289.10656 157.6
[M+HCOO]- 351.10750 192.2
[M+CH3COO]- 365.12315 207.4
[M+Na-2H]- 327.08397 168.6
[M]+ 306.10875 170.4
[M]- 306.10985 170.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.